1641-0036 Screening compound: 7-bromo-4-(2-bromobenzoyl)-5-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

1641-0036 Screening compound: 7-bromo-4-(2-bromobenzoyl)-5-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one
1641-0036 Screening compound: 7-bromo-4-(2-bromobenzoyl)-5-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1641-0036
7-bromo-4-(2-bromobenzoyl)-5-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

1641-0036

Molecular Formula

C22H15Br2ClN2O2 (C22 H15 Br2 ClN2 O2)

Compound Name

7-bromo-4-(2-bromobenzoyl)-5-(2-chlorophenyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-2-one

IUPAC name

7-bromo-4-(2-bromobenzoyl)-5-(2-chlorophenyl)-2345-tetrahydro-1H-14-benzodiazepin-2-one

SMILES

O=C(c(cccc1)c1Br)N(C1)C(c(cccc2)c2Cl)c(cc(cc2)Br)c2NC1=O

InChI

InChI=1S/C22H15Br2ClN2O2/c23-13-9-10-19-16(11-13)21(15-6-2-4-8-18(15)25)27(12-20(28)26-19)22(29)14-5-1-3-7-17(14)24/h1-11,21H,12H2,(H,26,28)/t21-/m0/s1

InChI Key

VCIJFSHXPGLRBC-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.63

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.622

Distribution Coefficient, logD

5.621

Water Solubility, LogSw

-5.88

Polar Surface Area

41.026

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

-2.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with 1641-0036 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1641-0036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1641-0036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1641-0036
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 1641-0036 available by request